ethyl 2-(6-fluoro-4-oxo-1H-quinolin-2-yl)acetate

C13H12FNO3 — CID 23992270

IUPACethyl 2-(6-fluoro-4-oxo-1H-quinolin-2-yl)acetate
SMILESCCOC(=O)Cc1cc(=O)c2cc(F)ccc2[nH]1
InChIInChI=1S/C13H12FNO3/c1-2-18-13(17)7-9-6-12(16)10-5-8(14)3-4-11(10)15-9/h3-6H,2,7H2,1H3,(H,15,16)
InChIKeyARSVHQUSKBINKZ-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.77
Rot. Bonds3

About ethyl 2-(6-fluoro-4-oxo-1H-quinolin-2-yl)acetate

ethyl 2-(6-fluoro-4-oxo-1H-quinolin-2-yl)acetate (PubChem CID 23992270) has the molecular formula C13H12FNO3 and a molecular weight of 249.24 g/mol. Its IUPAC name is ethyl 2-(6-fluoro-4-oxo-1H-quinolin-2-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-fluoro-4-oxo-1H-quinolin-2-yl)acetate
PubChem CID23992270
Molecular FormulaC13H12FNO3
Molecular Weight249.24 g/mol
Exact Mass249.08
IUPAC Nameethyl 2-(6-fluoro-4-oxo-1H-quinolin-2-yl)acetate
SMILESCCOC(=O)Cc1cc(=O)c2cc(F)ccc2[nH]1
InChIInChI=1S/C13H12FNO3/c1-2-18-13(17)7-9-6-12(16)10-5-8(14)3-4-11(10)15-9/h3-6H,2,7H2,1H3,(H,15,16)
InChIKeyARSVHQUSKBINKZ-UHFFFAOYSA-N
XLogP1.77
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate
CID 22425219
ethyl 2-(7-methoxy-4-oxo-1H-quinolin-2-yl)acetate
CID 13064085
2-(6-methoxy-4-oxo-1H-quinolin-2-yl)acetamide
CID 25174598
2-(aminomethyl)-6-(4-fluorophenoxy)-1H-quinolin-4-one
CID 130302132
2-[(4-ethoxypiperidin-1-yl)methyl]-6-fluoro-1H-quinolin-4-one
CID 72904106
ethyl 2-[6-(difluoromethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134660644
ethyl 3-ethyl-5-fluoro-1H-indole-2-carboxylate
CID 18986264
6-ethoxy-2-ethyl-1H-quinolin-4-one
CID 43668050
6-(difluoromethoxy)-2-ethyl-1H-quinolin-4-one
CID 43668344
ethyl 3-(3-ethoxy-3-oxoprop-1-en-2-yl)-5-fluoro-1H-indole-2-carboxylate
CID 18780544
2-chloroethyl 6-fluoro-4-oxo-1H-quinoline-2-carboxylate
CID 11414541
2-O-ethyl 3-O-methyl 5-fluoro-1H-indole-2,3-dicarboxylate
CID 138980470

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-fluoro-4-oxo-1H-quinolin-2-yl)acetate?
The IUPAC name of ethyl 2-(6-fluoro-4-oxo-1H-quinolin-2-yl)acetate (CID 23992270) is ethyl 2-(6-fluoro-4-oxo-1H-quinolin-2-yl)acetate.
What is the SMILES notation for ethyl 2-(6-fluoro-4-oxo-1H-quinolin-2-yl)acetate?
The canonical SMILES for ethyl 2-(6-fluoro-4-oxo-1H-quinolin-2-yl)acetate is CCOC(=O)Cc1cc(=O)c2cc(F)ccc2[nH]1.
What is the InChIKey of ethyl 2-(6-fluoro-4-oxo-1H-quinolin-2-yl)acetate?
The InChIKey is ARSVHQUSKBINKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3/c1-2-18-13(17)7-9-6-12(16)10-5-8(14)3-4-11(10)15-9/h3-6H,2,7H2,1H3,(H,15,16).
What are the key properties of ethyl 2-(6-fluoro-4-oxo-1H-quinolin-2-yl)acetate?
ethyl 2-(6-fluoro-4-oxo-1H-quinolin-2-yl)acetate has a molecular weight of 249.24 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-fluoro-4-oxo-1H-quinolin-2-yl)acetate is sourced from PubChem (CID 23992270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).